Selective Anticancer Activity of Novel Schiff Base Co(II) and Fe(III) Complexes: Synthesis, Mechanisms, and Computational Insights
khedr, H., El-Zayat, E., Mahmoud, W., Mansour, M., El-Sherif, A. (2025). Selective Anticancer Activity of Novel Schiff Base Co(II) and Fe(III) Complexes: Synthesis, Mechanisms, and Computational Insights. EKB Journal Management System, (), -. doi: 10.21608/ejchem.2025.418425.12254
Heba a khedr; Emad El-Zayat; Walaa H Mahmoud; M. S. A. Mansour; Ahmed Abdo El-Sherif. "Selective Anticancer Activity of Novel Schiff Base Co(II) and Fe(III) Complexes: Synthesis, Mechanisms, and Computational Insights". EKB Journal Management System, , , 2025, -. doi: 10.21608/ejchem.2025.418425.12254
khedr, H., El-Zayat, E., Mahmoud, W., Mansour, M., El-Sherif, A. (2025). 'Selective Anticancer Activity of Novel Schiff Base Co(II) and Fe(III) Complexes: Synthesis, Mechanisms, and Computational Insights', EKB Journal Management System, (), pp. -. doi: 10.21608/ejchem.2025.418425.12254
khedr, H., El-Zayat, E., Mahmoud, W., Mansour, M., El-Sherif, A. Selective Anticancer Activity of Novel Schiff Base Co(II) and Fe(III) Complexes: Synthesis, Mechanisms, and Computational Insights. EKB Journal Management System, 2025; (): -. doi: 10.21608/ejchem.2025.418425.12254

Selective Anticancer Activity of Novel Schiff Base Co(II) and Fe(III) Complexes: Synthesis, Mechanisms, and Computational Insights

Egyptian Journal of Chemistry
Articles in Press, Accepted Manuscript, Available Online from 02 November 2025
Document Type: Original Article
DOI: 10.21608/ejchem.2025.418425.12254
Authors
Heba a khedr* 1; Emad El-Zayat2; Walaa H Mahmoud3; M. S. A. Mansour4; Ahmed Abdo El-Sherif3
1Giza_12613Egypt
2Department of Zoology, Faculty of Science, Cairo University, Giza, Egypt
3Faculty of science, Cairo university
4cairo university , faculty of science ,chemistry department El-Nasr Co. for intermediate Chemicals, Giza, Egypt
Abstract
Novel Schiff base ligand (D1) and its Co(II) and Fe(III) complexes (D2 and D3) were synthesized and fully characterized. DFT calculations revealed a significant reduction in the HOMO-LUMO energy gap upon metal complexation, indicating enhanced chemical reactivity for the complexes. The anticancer activity was evaluated against a panel of human cancer cell lines: human liver cancer (HepG2), breast cancer (MCF7), human lung carcinoma cell line (A549), human bladder carcinoma (T24), and normal Kidney of a human embryo (HEK). The Fe(III) complex (D3) exhibited exceptional, selective activity against A549 lung cancer cells (IC50 = 1.72 µg/ml, Selectivity Index = 9.96). Mechanistic studies on D3 revealed that it induces G0/G1 cell cycle arrest and promotes cell death through apoptotic and necrotic pathways. This was supported by a marked upregulation of pro-apoptotic genes (p53 and bax) and downregulation of the anti-apoptotic bcl2. Molecular docking confirmed strong interactions between the metal complexes and key cancer-related proteins. The superior activity of the complexes is attributed to chelation-enhanced lipophilicity and cellular uptake. This study establishes the Fe(III) complex D3 as a highly promising candidate for targeted lung cancer therapy.
Keywords
Apoptosis; Cell cycle; docking; DFT; Cancer; Pro-apoptotic genes; Cytokines
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